Molecule
ID:31968
General Information
Molecular Formula
C₁₂H₁₇ClF₂N₂O
Molecular Mass
278.7259864
Exact Mass
278.09974729
Charge
0
InChI
InChI=1S/C12H16F2N2O.ClH/c13-9-1-2-10(11(14)7-9)12(8-15)16-3-5-17-6-4-16;/h1-2,7,12H,3-6,8,15H2;1H
InChIKey
UWNBVJPWZVWYLA-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1F)F)N1CCOCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)F)F)C(N1CCOCC1)CN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6123611
LogD (pH = 7.4)
-0.1865363
Log P
1.2443292
Molar Refractivity
61.728
Polarizability
23.758522
Polar Surface Area
38.49
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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